HETATM 1 C ACE A 0 5.381 5.522 3.373 1.00 0.00 C HETATM 2 O ACE A 0 4.304 5.116 3.851 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.659 5.337 4.165 1.00 0.00 C HETATM 4 H1 ACE A 0 6.597 4.427 4.743 1.00 0.00 H HETATM 5 H2 ACE A 0 6.793 6.177 4.831 1.00 0.00 H HETATM 6 H3 ACE A 0 7.498 5.278 3.488 1.00 0.00 H ATOM 7 N HIS A 1 5.525 6.161 2.157 1.00 0.00 N ATOM 8 CA HIS A 1 4.406 6.457 1.240 1.00 0.00 C ATOM 9 C HIS A 1 3.947 5.199 0.471 1.00 0.00 C ATOM 10 O HIS A 1 2.737 5.077 0.197 1.00 0.00 O ATOM 11 CB HIS A 1 4.807 7.583 0.263 1.00 0.00 C ATOM 12 CG HIS A 1 3.640 8.275 -0.387 1.00 0.00 C ATOM 13 ND1 HIS A 1 2.697 7.608 -1.139 1.00 0.00 N ATOM 14 CD2 HIS A 1 3.265 9.578 -0.388 1.00 0.00 C ATOM 15 CE1 HIS A 1 1.793 8.468 -1.573 1.00 0.00 C ATOM 16 NE2 HIS A 1 2.114 9.670 -1.132 1.00 0.00 N ATOM 17 H HIS A 1 6.425 6.454 1.896 1.00 0.00 H ATOM 18 HA HIS A 1 3.581 6.811 1.844 1.00 0.00 H ATOM 19 HB2 HIS A 1 5.373 8.330 0.801 1.00 0.00 H ATOM 20 HB3 HIS A 1 5.426 7.173 -0.520 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.691 6.646 -1.328 1.00 0.00 H ATOM 22 HD2 HIS A 1 3.778 10.395 0.102 1.00 0.00 H ATOM 23 HE1 HIS A 1 0.935 8.229 -2.184 1.00 0.00 H ATOM 24 HE2 HIS A 1 1.541 10.463 -1.194 1.00 0.00 H ATOM 25 N LYS A 2 4.937 4.293 0.105 1.00 0.00 N ATOM 26 CA LYS A 2 4.671 3.047 -0.674 1.00 0.00 C ATOM 27 C LYS A 2 3.916 1.944 0.105 1.00 0.00 C ATOM 28 O LYS A 2 3.140 1.186 -0.512 1.00 0.00 O ATOM 29 CB LYS A 2 5.957 2.474 -1.323 1.00 0.00 C ATOM 30 CG LYS A 2 7.102 2.113 -0.382 1.00 0.00 C ATOM 31 CD LYS A 2 8.213 1.388 -1.133 1.00 0.00 C ATOM 32 CE LYS A 2 9.300 0.866 -0.198 1.00 0.00 C ATOM 33 NZ LYS A 2 8.768 -0.110 0.796 1.00 0.00 N ATOM 34 H LYS A 2 5.862 4.500 0.348 1.00 0.00 H ATOM 35 HA LYS A 2 4.023 3.350 -1.481 1.00 0.00 H ATOM 36 HB2 LYS A 2 5.693 1.578 -1.858 1.00 0.00 H ATOM 37 HB3 LYS A 2 6.326 3.197 -2.034 1.00 0.00 H ATOM 38 HG2 LYS A 2 7.511 3.015 0.039 1.00 0.00 H ATOM 39 HG3 LYS A 2 6.734 1.469 0.401 1.00 0.00 H ATOM 40 HD2 LYS A 2 7.786 0.554 -1.667 1.00 0.00 H ATOM 41 HD3 LYS A 2 8.660 2.075 -1.838 1.00 0.00 H ATOM 42 HE2 LYS A 2 10.058 0.377 -0.793 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.743 1.699 0.327 1.00 0.00 H ATOM 44 HZ1 LYS A 2 8.229 0.389 1.533 1.00 0.00 H ATOM 45 HZ2 LYS A 2 9.551 -0.626 1.245 1.00 0.00 H ATOM 46 HZ3 LYS A 2 8.142 -0.794 0.325 1.00 0.00 H HETATM 47 C MK8 A 3 1.946 0.707 2.067 1.00 0.00 C HETATM 48 N MK8 A 3 4.146 1.826 1.483 1.00 0.00 N HETATM 49 O MK8 A 3 1.390 -0.337 1.653 1.00 0.00 O HETATM 50 CA MK8 A 3 3.506 0.777 2.373 1.00 0.00 C HETATM 51 CB MK8 A 3 3.735 1.179 3.899 1.00 0.00 C HETATM 52 CD MK8 A 3 1.574 0.490 5.222 1.00 0.00 C HETATM 53 CE MK8 A 3 0.893 -0.122 6.469 1.00 0.00 C HETATM 54 CG MK8 A 3 3.089 0.317 5.056 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.281 -0.557 2.074 1.00 0.00 C HETATM 56 HN MK8 A 3 4.773 2.444 1.898 1.00 0.00 H HETATM 57 HB MK8 A 3 3.377 2.193 4.021 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.797 1.186 4.077 1.00 0.00 H HETATM 59 HD MK8 A 3 1.108 0.049 4.349 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.357 1.544 5.217 1.00 0.00 H HETATM 61 HE MK8 A 3 1.472 -0.122 7.381 1.00 0.00 H HETATM 62 HG MK8 A 3 3.572 0.585 5.988 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.284 -0.724 4.853 1.00 0.00 H HETATM 64 HB1 MK8 A 3 4.740 -0.496 1.097 1.00 0.00 H HETATM 65 HB1A MK8 A 3 3.590 -1.386 2.094 1.00 0.00 H HETATM 66 HB1B MK8 A 3 5.044 -0.707 2.824 1.00 0.00 H ATOM 67 N LEU A 4 1.249 1.878 2.363 1.00 0.00 N ATOM 68 CA LEU A 4 -0.223 2.044 2.230 1.00 0.00 C ATOM 69 C LEU A 4 -0.744 1.592 0.865 1.00 0.00 C ATOM 70 O LEU A 4 -1.928 1.204 0.776 1.00 0.00 O ATOM 71 CB LEU A 4 -0.646 3.502 2.544 1.00 0.00 C ATOM 72 CG LEU A 4 -2.162 3.769 2.747 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.644 3.342 4.140 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.470 5.238 2.511 1.00 0.00 C ATOM 75 H LEU A 4 1.761 2.633 2.725 1.00 0.00 H ATOM 76 HA LEU A 4 -0.669 1.401 2.971 1.00 0.00 H ATOM 77 HB2 LEU A 4 -0.137 3.806 3.447 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.303 4.130 1.735 1.00 0.00 H ATOM 79 HG LEU A 4 -2.718 3.196 2.021 1.00 0.00 H ATOM 80 HD11 LEU A 4 -3.666 2.996 4.076 1.00 0.00 H ATOM 81 HD12 LEU A 4 -2.590 4.182 4.814 1.00 0.00 H ATOM 82 HD13 LEU A 4 -2.017 2.542 4.507 1.00 0.00 H ATOM 83 HD21 LEU A 4 -3.491 5.442 2.795 1.00 0.00 H ATOM 84 HD22 LEU A 4 -2.333 5.470 1.465 1.00 0.00 H ATOM 85 HD23 LEU A 4 -1.803 5.845 3.105 1.00 0.00 H ATOM 86 N HIS A 5 0.164 1.637 -0.174 1.00 0.00 N ATOM 87 CA HIS A 5 -0.149 1.223 -1.556 1.00 0.00 C ATOM 88 C HIS A 5 -0.331 -0.296 -1.589 1.00 0.00 C ATOM 89 O HIS A 5 -1.270 -0.798 -2.231 1.00 0.00 O ATOM 90 CB HIS A 5 0.960 1.684 -2.512 1.00 0.00 C ATOM 91 CG HIS A 5 0.561 1.702 -3.958 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.136 0.581 -4.638 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.526 2.720 -4.857 1.00 0.00 C ATOM 94 CE1 HIS A 5 -0.142 0.906 -5.889 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.086 2.196 -6.045 1.00 0.00 N ATOM 96 H HIS A 5 1.072 1.947 0.019 1.00 0.00 H ATOM 97 HA HIS A 5 -1.081 1.690 -1.837 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.256 2.688 -2.244 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.808 1.027 -2.409 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.054 -0.321 -4.263 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.799 3.752 -4.675 1.00 0.00 H ATOM 102 HE1 HIS A 5 -0.494 0.233 -6.654 1.00 0.00 H ATOM 103 HE2 HIS A 5 -0.113 2.711 -6.855 1.00 0.00 H ATOM 104 N GLN A 6 0.601 -1.000 -0.863 1.00 0.00 N ATOM 105 CA GLN A 6 0.627 -2.479 -0.736 1.00 0.00 C ATOM 106 C GLN A 6 -0.593 -3.039 0.024 1.00 0.00 C ATOM 107 O GLN A 6 -1.160 -4.054 -0.406 1.00 0.00 O ATOM 108 CB GLN A 6 1.920 -2.940 -0.040 1.00 0.00 C ATOM 109 CG GLN A 6 3.118 -3.093 -0.970 1.00 0.00 C ATOM 110 CD GLN A 6 3.082 -4.386 -1.757 1.00 0.00 C ATOM 111 OE1 GLN A 6 2.135 -4.651 -2.495 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.121 -5.201 -1.605 1.00 0.00 N ATOM 113 H GLN A 6 1.300 -0.481 -0.410 1.00 0.00 H ATOM 114 HA GLN A 6 0.615 -2.886 -1.736 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.182 -2.229 0.725 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.736 -3.895 0.427 1.00 0.00 H ATOM 117 HG2 GLN A 6 3.127 -2.274 -1.669 1.00 0.00 H ATOM 118 HG3 GLN A 6 4.023 -3.070 -0.379 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.844 -4.925 -1.003 1.00 0.00 H ATOM 120 HE22 GLN A 6 4.121 -6.044 -2.098 1.00 0.00 H HETATM 121 C MK8 A 7 -3.442 -2.795 1.216 1.00 0.00 C HETATM 122 N MK8 A 7 -0.973 -2.374 1.184 1.00 0.00 N HETATM 123 O MK8 A 7 -4.367 -3.635 1.411 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.115 -2.781 2.073 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.335 -1.706 3.198 1.00 0.00 C HETATM 126 CD MK8 A 7 -1.463 -0.835 5.422 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.372 -0.676 6.548 1.00 0.00 C HETATM 128 CG MK8 A 7 -1.092 -1.147 3.958 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.817 -4.168 2.752 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.462 -1.597 1.444 1.00 0.00 H HETATM 131 HB MK8 A 7 -3.004 -2.132 3.932 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.833 -0.860 2.749 1.00 0.00 H HETATM 133 HD MK8 A 7 -2.140 -1.621 5.742 1.00 0.00 H HETATM 134 HDA MK8 A 7 -2.022 0.084 5.417 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.652 -1.046 7.525 1.00 0.00 H HETATM 136 HG MK8 A 7 -0.766 -0.231 3.480 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.299 -1.880 3.924 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -1.352 -4.826 2.034 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -2.742 -4.605 3.095 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -1.154 -4.021 3.593 1.00 0.00 H ATOM 141 N LEU A 8 -3.530 -1.761 0.303 1.00 0.00 N ATOM 142 CA LEU A 8 -4.703 -1.505 -0.578 1.00 0.00 C ATOM 143 C LEU A 8 -4.994 -2.635 -1.589 1.00 0.00 C ATOM 144 O LEU A 8 -6.185 -2.905 -1.843 1.00 0.00 O ATOM 145 CB LEU A 8 -4.521 -0.158 -1.317 1.00 0.00 C ATOM 146 CG LEU A 8 -5.778 0.462 -1.977 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.672 1.177 -0.961 1.00 0.00 C ATOM 148 CD2 LEU A 8 -5.365 1.433 -3.071 1.00 0.00 C ATOM 149 H LEU A 8 -2.786 -1.121 0.269 1.00 0.00 H ATOM 150 HA LEU A 8 -5.562 -1.416 0.069 1.00 0.00 H ATOM 151 HB2 LEU A 8 -4.133 0.560 -0.610 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.781 -0.302 -2.090 1.00 0.00 H ATOM 153 HG LEU A 8 -6.360 -0.325 -2.434 1.00 0.00 H ATOM 154 HD11 LEU A 8 -7.506 0.540 -0.704 1.00 0.00 H ATOM 155 HD12 LEU A 8 -7.041 2.096 -1.392 1.00 0.00 H ATOM 156 HD13 LEU A 8 -6.101 1.400 -0.072 1.00 0.00 H ATOM 157 HD21 LEU A 8 -6.248 1.837 -3.544 1.00 0.00 H ATOM 158 HD22 LEU A 8 -4.767 0.916 -3.806 1.00 0.00 H ATOM 159 HD23 LEU A 8 -4.789 2.237 -2.638 1.00 0.00 H ATOM 160 N GLN A 9 -3.902 -3.249 -2.186 1.00 0.00 N ATOM 161 CA GLN A 9 -4.017 -4.322 -3.222 1.00 0.00 C ATOM 162 C GLN A 9 -4.262 -5.730 -2.661 1.00 0.00 C ATOM 163 O GLN A 9 -4.996 -6.505 -3.311 1.00 0.00 O ATOM 164 CB GLN A 9 -2.787 -4.343 -4.141 1.00 0.00 C ATOM 165 CG GLN A 9 -2.792 -3.238 -5.188 1.00 0.00 C ATOM 166 CD GLN A 9 -1.613 -3.321 -6.142 1.00 0.00 C ATOM 167 OE1 GLN A 9 -0.458 -3.327 -5.718 1.00 0.00 O ATOM 168 NE2 GLN A 9 -1.900 -3.375 -7.441 1.00 0.00 N ATOM 169 H GLN A 9 -3.006 -2.937 -1.937 1.00 0.00 H ATOM 170 HA GLN A 9 -4.873 -4.066 -3.830 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.895 -4.235 -3.541 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.752 -5.293 -4.653 1.00 0.00 H ATOM 173 HG2 GLN A 9 -3.703 -3.315 -5.764 1.00 0.00 H ATOM 174 HG3 GLN A 9 -2.766 -2.284 -4.686 1.00 0.00 H ATOM 175 HE21 GLN A 9 -2.843 -3.359 -7.709 1.00 0.00 H ATOM 176 HE22 GLN A 9 -1.156 -3.426 -8.080 1.00 0.00 H ATOM 177 N ASP A 10 -3.628 -6.050 -1.473 1.00 0.00 N ATOM 178 CA ASP A 10 -3.740 -7.377 -0.808 1.00 0.00 C ATOM 179 C ASP A 10 -5.158 -7.615 -0.271 1.00 0.00 C ATOM 180 O ASP A 10 -5.590 -8.781 -0.199 1.00 0.00 O ATOM 181 CB ASP A 10 -2.690 -7.521 0.313 1.00 0.00 C ATOM 182 CG ASP A 10 -2.663 -8.912 0.929 1.00 0.00 C ATOM 183 OD1 ASP A 10 -3.700 -9.336 1.481 1.00 0.00 O ATOM 184 OD2 ASP A 10 -1.609 -9.574 0.854 1.00 0.00 O ATOM 185 H ASP A 10 -3.064 -5.370 -1.054 1.00 0.00 H ATOM 186 HA ASP A 10 -3.542 -8.127 -1.562 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.710 -7.321 -0.094 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.900 -6.806 1.093 1.00 0.00 H ATOM 189 N SER A 11 -5.860 -6.485 0.088 1.00 0.00 N ATOM 190 CA SER A 11 -7.236 -6.487 0.615 1.00 0.00 C ATOM 191 C SER A 11 -8.228 -6.564 -0.578 1.00 0.00 C ATOM 192 O SER A 11 -7.826 -6.963 -1.670 1.00 0.00 O ATOM 193 CB SER A 11 -7.417 -5.231 1.498 1.00 0.00 C ATOM 194 OG SER A 11 -6.298 -5.056 2.348 1.00 0.00 O ATOM 195 H SER A 11 -5.422 -5.617 -0.022 1.00 0.00 H ATOM 196 HA SER A 11 -7.352 -7.377 1.226 1.00 0.00 H ATOM 197 HB2 SER A 11 -7.518 -4.360 0.873 1.00 0.00 H ATOM 198 HB3 SER A 11 -8.295 -5.337 2.118 1.00 0.00 H ATOM 199 HG SER A 11 -6.587 -4.689 3.186 1.00 0.00 H HETATM 200 N NH2 A 12 -9.514 -6.242 -0.390 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -9.800 -5.957 0.498 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -10.120 -6.305 -1.164 1.00 0.00 H TER 203 NH2 A 12